N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine

C11H19N — CID 166974138

IUPACN,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine
SMILESCNC1(C)CCC2=C(CCC2)C1
InChIInChI=1S/C11H19N/c1-11(12-2)7-6-9-4-3-5-10(9)8-11/h12H,3-8H2,1-2H3
InChIKeyYKZVRMWWOOMVPH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.63
Rot. Bonds1

About N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine

N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine (PubChem CID 166974138) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine.

Molecular Properties

Compound NameN,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine
PubChem CID166974138
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine
SMILESCNC1(C)CCC2=C(CCC2)C1
InChIInChI=1S/C11H19N/c1-11(12-2)7-6-9-4-3-5-10(9)8-11/h12H,3-8H2,1-2H3
InChIKeyYKZVRMWWOOMVPH-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine?
The IUPAC name of N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine (CID 166974138) is N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine.
What is the SMILES notation for N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine?
The canonical SMILES for N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine is CNC1(C)CCC2=C(CCC2)C1.
What is the InChIKey of N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine?
The InChIKey is YKZVRMWWOOMVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-11(12-2)7-6-9-4-3-5-10(9)8-11/h12H,3-8H2,1-2H3.
What are the key properties of N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine?
N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine has a molecular weight of 165.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine is sourced from PubChem (CID 166974138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).